Chlorine in PDB 7l9g: Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to BI2536

The structure of Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to BI2536, PDB code: 7l9g was solved by M.R.Karim, M.J.Bikowitz, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.77 / 1.36
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.53, 71.55, 32.13, 90, 90, 90
R / Rfree (%)	14.9 / 17.2

The binding sites of Chlorine atom in the Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to BI2536 (pdb code 7l9g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to BI2536, PDB code: 7l9g:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to BI2536


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to BI2536 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:14.5 occ:0.50 HH11 A:ARG419 2.5 11.8 1.0 O A:HOH661 3.1 13.9 1.0 NH1 A:ARG419 3.3 9.8 1.0 HD2 A:ARG419 3.3 13.8 1.0 HA A:ALA416 3.3 12.8 1.0 HD3 A:ARG419 3.5 13.8 1.0 HH12 A:ARG419 3.6 11.8 1.0 HB2 A:ALA416 3.7 12.2 1.0 CD A:ARG419 3.8 11.5 1.0 CA A:ALA416 4.1 10.6 1.0 CB A:ALA416 4.3 10.2 1.0 CZ A:ARG419 4.3 9.4 1.0 HB2 A:ARG419 4.4 10.5 1.0 N A:ALA416 4.4 7.8 1.0 HB1 A:ALA416 4.5 12.2 1.0 O A:HOH729 4.5 32.8 1.0 O A:HOH761 4.5 24.4 1.0 NE A:ARG419 4.5 8.1 1.0 O A:HOH651 4.6 13.2 1.0 H A:ALA416 4.6 9.3 1.0 HB3 A:ALA415 4.7 11.6 1.0 C A:ALA415 4.8 7.2 1.0 HB1 A:ALA415 4.9 11.6 1.0 O A:ALA415 5.0 7.5 1.0

R.M.Karim, M.J.Bikowitz, A.Chan, J.Y.Zhu, D.Grassie, A.Becker, N.Berndt, S.Gunawan, N.J.Lawrence, E.Schonbrunn. Differential Bet Bromodomain Inhibition By Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34710325
DOI: 10.1021/ACS.JMEDCHEM.1C01096